Spektraris NMR
24-methylene-cholest-5-en-3beta,23S-diol
Common Name: 24-methylene-cholest-5-en-3beta,23S-diol
Synonyms: 24-methylene-cholest-5-en-3beta,23S-diol
CAS Registry Number:
InChI: InChI=1S/C28H46O2/c1-17(2)19(4)26(30)15-18(3)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7,17-18,21-26,29-30H,4,8-16H2,1-3,5-6H3/t18-,21+,22+,23-,24+,25+,26+,27+,28-/m1/s1
InChIKey: InChIKey=NMTGDMNIHVGVNP-UVDVHAOQSA-N
Formula: C28H46O2
Molecular Weight: 414.66469
Exact Mass: 414.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, S.Y., Wen, Z.H., Wang, S.K., Chiang, M.Y., El-Gamal, A.A., Dai, C.F., Duh, C.Y. Chem Biodiversity (2009) 6, 86-95
Species:
Notes: Family : Steroids, Type : Ergostanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 37.2 |
| 2 (CH2) | 31.6 |
| 3 (CH) | 71.8 |
| 4 (CH2) | 42.2 |
| 5 (C) | 140.7 |
| 6 (CH) | 121.6 |
| 7 (CH2) | 31.8 |
| 8 (CH) | 31.8 |
| 9 (CH) | 50 |
| 10 (C) | 36.5 |
| 11 (CH2) | 21 |
| 12 (CH2) | 39.7 |
| 13 (C) | 42.4 |
| 14 (CH) | 56.7 |
| 15 (CH2) | 24.2 |
| 16 (CH2) | 28.4 |
| 17 (CH) | 56.8 |
| 18 (CH3) | 11.8 |
| 19 (CH3) | 19.4 |
| 20 (CH) | 34.1 |
| 21 (CH3) | 19.5 |
| 22 (CH2) | 42.6 |
| 23 (CH) | 74.4 |
| 24 (C) | 159.2 |
| 25 (CH) | 29.8 |
| 26 (CH3) | 23.1 |
| 27 (CH3) | 23.6 |
| 24a (CH2) | 108.1 |
